5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole

C15H13ClN4O3S — CID 1488278

IUPAC5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2ccc(S(C)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C15H13ClN4O3S/c1-23-11-5-3-10(4-6-11)20-15(17-18-19-20)13-8-7-12(9-14(13)16)24(2,21)22/h3-9H,1-2H3
InChIKeyOXYCSTDBNQDOIG-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.39
Rot. Bonds4

About 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole

5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole (PubChem CID 1488278) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole
PubChem CID1488278
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2-c2ccc(S(C)(=O)=O)cc2Cl)cc1
InChIInChI=1S/C15H13ClN4O3S/c1-23-11-5-3-10(4-6-11)20-15(17-18-19-20)13-8-7-12(9-14(13)16)24(2,21)22/h3-9H,1-2H3
InChIKeyOXYCSTDBNQDOIG-UHFFFAOYSA-N
XLogP2.39
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole?
The IUPAC name of 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole (CID 1488278) is 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole is COc1ccc(-n2nnnc2-c2ccc(S(C)(=O)=O)cc2Cl)cc1.
What is the InChIKey of 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole?
The InChIKey is OXYCSTDBNQDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-23-11-5-3-10(4-6-11)20-15(17-18-19-20)13-8-7-12(9-14(13)16)24(2,21)22/h3-9H,1-2H3.
What are the key properties of 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole?
5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole has a molecular weight of 364.81 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylsulfonylphenyl)-1-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 1488278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).